Cas no 88255-55-4 (Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester)
88255-55-4 structure
Product Name:Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester
CAS No:88255-55-4
MF:C13H26O2
MW:214.344344615936
CID:639660
PubChem ID:13113706
Update Time:2025-04-19
Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester
- methyl 2,2,3-trimethyl-3-propylhexanoate
- 88255-55-4
- SCHEMBL19941600
- DTXSID40518831
-
- Inchi： 1S/C13H26O2/c1-7-9-13(5,10-8-2)12(3,4)11(14)15-6/h7-10H2,1-6H3
- InChI Key： AMDORRBMHGCBIE-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)C(C)(CCC)CCC)=O
Computed Properties
- Exact Mass: 214.193280068g/mol
- Monoisotopic Mass: 214.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 26.3?2
Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
88255-55-4 (Hexanoic acid, 2,2,3-trimethyl-3-propyl-, methyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 2177-77-7(Methyl 2-methylvalerate)
- 29412-62-2(dimethyl cubane-1,4-dicarboxylate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 711-01-3(1-Adamantanecarboxylic Acid Methyl Ester)
- 868-57-5(DL-2-Methylbutyric Acid Methyl Ester)
- 32980-26-0(4-Methoxy-3,3-dimethyl-4-oxobutanoic acid)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 4630-80-2(Methyl cyclopentanecarboxylate)
- 597-71-7(Pentaerythritol tetraacetate)
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